6BS1

Crystal Structure of Human DNA polymerase kappa in complex with DNA containing the major cisplatin lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-14
Detector	RAYONIX MX-300
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	63.800, 127.720, 168.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 3.150
R-factor	0.24705
Rwork	0.244
R-free	0.29851
RMSD bond length	0.009
RMSD bond angle	1.332
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.270	3.320
High resolution limit [Å]	3.150	3.150
Rmerge	0.101	0.550
Number of reflections	23000
<I/σ(I)>	8
Completeness [%]	93.7
Redundancy	3.6
CC(1/2)	0.996	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	20-25% PEG5KMME and 0.1-0.2M ammonium iodide